Basic information
- CAS
66827-82-5- Standard SMILES
CC[NH+](CC)CCOC(=O)C1(C)c2ccccc2Cc2ccccc21.[Cl-]- InChIKey
GROUTKAJQGPOOC-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO2
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.1808568
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 9-methyl-9,10-dihydroanthracene-9-carboxylate--hydrogen chloride (1/1)
- IUPAC
- diethyl-[2-(9-methyl-10H-anthracene-9-carbonyl)oxyethyl]azanium chloride
Names & synonyms
66827-82-5DTXSID809854222-(Diethylamino)ethyl 9-methyl-9,10-dihydroanthracene-9-carboxylate--hydrogen chloride (1/1)RefChem:1061694DTXCID8014126169-Anthroic acid, 9,10-dihydro-9-methyl-, 2-(diethylamino)ethyl ester, hydrochloride9,10-Dihydro-9-methyl-9-anthroic acid -2-(diethylamino)ethyl ester hydrochloride
Database identifiers
- CAS
66827-82-5- PubChem CID
- 48119
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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